AMBER: pmend vs sander.MPI

From: Francesco Pietra <>
Date: Thu, 6 Dec 2007 07:13:39 -0800 (PST)

Is pmend likely to improve performance with respect to sander.MPI for a small
number of processors on dualopteron amd64 Linux/OpenMPI/intel compilers? If
yes, which is the minimum number of processors to try if pmend defeats
sander.MPI in speed for a long MD (production)?

francesco pietra
Very likely the answer was already on the web, though I was unable to find it.
I'll try to compile pmend according to the response.

Never miss a thing. Make Yahoo your home page.
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Dec 09 2007 - 06:07:26 PST
Custom Search